| Properties | Image |
|---|
| MNX_ID | MNXM1197971 |
 |
| reference | envipathM:...688f9a5cc829 |
| formula | C41H66O19 |
| global charge | 0 |
| mol weight | 862.96 |
| InChIKey | QDWBZYKWNQYUGL-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O19/c1-17-32(48)21(42)10-30(54-17)59-34-19(3)56-31(12-23(34)44)60-33-18(2)55-29(11-22(33)43)57-20-6-8-36(4)25-13-26(45)37(5)24(39(51)16-28(47)58-35(39)49)7-9-40(37,52)41(25,53)27(46)15-38(36,50)14-20/h17-27,29-35,42-46,48-53H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8(O)CC(=O)OC8O)CCC7(O)C6(O)C(O)CC5(O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O19/c1-17-32(48)21(42)10-30(54-17)59-34-19(3)56-31(12-23(34)44)60-33-18(2)55-29(11-22(33)43)57-20-6-8-36(4)25-13-26(45)37(5)24(39(51)16-28(47)58-35(39)49)7-9-40(37,52)41(25,53)27(46)15-38(36,50)14-20/h17-27,29-35,42-46,48-53H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:32]([OH:48])[CH:21]([OH:42])[CH2:10][CH:30]([O:59][CH:34]2[CH:19]([CH3:3])[O:56][CH:31]([O:60][CH:33]3[CH:18]([CH3:2])[O:55][CH:29]([O:57][CH:20]4[CH2:6][CH2:8][C:36]5([CH3:4])[CH:25]6[CH2:13][CH:26]([OH:45])[C:37]7([CH3:5])[CH:24]([C:39]8([OH:51])[CH2:16][C:28](=[O:47])[O:58][CH:35]8[OH:49])[CH2:7][CH2:9][C:40]7([OH:52])[C:41]6([OH:53])[CH:27]([OH:46])[CH2:15][C:38]5([OH:50])[CH2:14]4)[CH2:11][CH:22]3[OH:43])[CH2:12][CH:23]2[OH:44])[O:54]1 |
|